benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline

C35H28N2 — CID 144919829

IUPACbenzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline
SMILESCNc1ccc(-c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1.c1ccccc1
InChIInChI=1S/C29H22N2.C6H6/c1-30-24-14-11-20(12-15-24)23-13-16-26-27-17-21-7-5-6-8-22(21)18-29(27)31(28(26)19-23)25-9-3-2-4-10-25;1-2-4-6-5-3-1/h2-19,30H,1H3;1-6H
InChIKeyCTNHXHNSYKNALX-UHFFFAOYSA-N
MW476.62 g/mol
LogP9.33
Rot. Bonds3

About benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline

benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline (PubChem CID 144919829) has the molecular formula C35H28N2 and a molecular weight of 476.62 g/mol. Its IUPAC name is benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline.

Molecular Properties

Compound Namebenzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline
PubChem CID144919829
Molecular FormulaC35H28N2
Molecular Weight476.62 g/mol
Exact Mass476.23
IUPAC Namebenzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline
SMILESCNc1ccc(-c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1.c1ccccc1
InChIInChI=1S/C29H22N2.C6H6/c1-30-24-14-11-20(12-15-24)23-13-16-26-27-17-21-7-5-6-8-22(21)18-29(27)31(28(26)19-23)25-9-3-2-4-10-25;1-2-4-6-5-3-1/h2-19,30H,1H3;1-6H
InChIKeyCTNHXHNSYKNALX-UHFFFAOYSA-N
XLogP9.33
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline
CID 146250921
5-phenyl-3-(1-phenylindol-6-yl)benzo[b]carbazole
CID 130232185
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850
ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 144919767
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948

Frequently Asked Questions

What is the IUPAC name of benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline?
The IUPAC name of benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline (CID 144919829) is benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline.
What is the SMILES notation for benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline?
The canonical SMILES for benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline is CNc1ccc(-c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1.c1ccccc1.
What is the InChIKey of benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline?
The InChIKey is CTNHXHNSYKNALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2.C6H6/c1-30-24-14-11-20(12-15-24)23-13-16-26-27-17-21-7-5-6-8-22(21)18-29(27)31(28(26)19-23)25-9-3-2-4-10-25;1-2-4-6-5-3-1/h2-19,30H,1H3;1-6H.
What are the key properties of benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline?
benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline has a molecular weight of 476.62 g/mol, XLogP of 9.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline is sourced from PubChem (CID 144919829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).